(4Z)-3-methyl-4-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methylidene]-1H-pyrazol-5-one

C9H10N4O2 — CID 6437455

IUPAC(4Z)-3-methyl-4-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methylidene]-1H-pyrazol-5-one
SMILESCC1=NNC(=O)/C1=C\C1C(=O)NN=C1C
InChIInChI=1S/C9H10N4O2/c1-4-6(8(14)12-10-4)3-7-5(2)11-13-9(7)15/h3,6H,1-2H3,(H,12,14)(H,13,15)/b7-3-
InChIKeyKFJWIWSFLYGDFY-CLTKARDFSA-N
MW206.20 g/mol
LogP-0.46
Rot. Bonds1

About (4Z)-3-methyl-4-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methylidene]-1H-pyrazol-5-one

(4Z)-3-methyl-4-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methylidene]-1H-pyrazol-5-one (PubChem CID 6437455) has the molecular formula C9H10N4O2 and a molecular weight of 206.20 g/mol. Its IUPAC name is (4Z)-3-methyl-4-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methylidene]-1H-pyrazol-5-one.

Molecular Properties

Compound Name(4Z)-3-methyl-4-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methylidene]-1H-pyrazol-5-one
PubChem CID6437455
Molecular FormulaC9H10N4O2
Molecular Weight206.20 g/mol
Exact Mass206.08
IUPAC Name(4Z)-3-methyl-4-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methylidene]-1H-pyrazol-5-one
SMILESCC1=NNC(=O)/C1=C\C1C(=O)NN=C1C
InChIInChI=1S/C9H10N4O2/c1-4-6(8(14)12-10-4)3-7-5(2)11-13-9(7)15/h3,6H,1-2H3,(H,12,14)(H,13,15)/b7-3-
InChIKeyKFJWIWSFLYGDFY-CLTKARDFSA-N
XLogP-0.46
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z)-3-methyl-4-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methylidene]-1H-pyrazol-5-one?
The IUPAC name of (4Z)-3-methyl-4-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methylidene]-1H-pyrazol-5-one (CID 6437455) is (4Z)-3-methyl-4-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methylidene]-1H-pyrazol-5-one.
What is the SMILES notation for (4Z)-3-methyl-4-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methylidene]-1H-pyrazol-5-one?
The canonical SMILES for (4Z)-3-methyl-4-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methylidene]-1H-pyrazol-5-one is CC1=NNC(=O)/C1=C\C1C(=O)NN=C1C.
What is the InChIKey of (4Z)-3-methyl-4-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methylidene]-1H-pyrazol-5-one?
The InChIKey is KFJWIWSFLYGDFY-CLTKARDFSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-4-6(8(14)12-10-4)3-7-5(2)11-13-9(7)15/h3,6H,1-2H3,(H,12,14)(H,13,15)/b7-3-.
What are the key properties of (4Z)-3-methyl-4-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methylidene]-1H-pyrazol-5-one?
(4Z)-3-methyl-4-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methylidene]-1H-pyrazol-5-one has a molecular weight of 206.20 g/mol, XLogP of -0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-3-methyl-4-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methylidene]-1H-pyrazol-5-one is sourced from PubChem (CID 6437455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).